Reaction Details
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Dihydroorotate dehydrogenase (quinone), mitochondrial
Ligand
BDBM50523216
Substrate
n/a
Meas. Tech.
ChEMBL_1889220 (CHEMBL4390974)
IC50
31400±n/a nM
Citation
Calil, FA; David, JS; Chiappetta, ERC; Fumagalli, F; Mello, RB; Leite, FHA; Castilho, MS; Emery, FS; Nonato, MC Ligand-based design, synthesis and biochemical evaluation of potent and selective inhibitors of Schistosoma mansoni dihydroorotate dehydrogenase. Eur J Med Chem 167:357-366 (2019) [PubMed] Article More Info.:
Target
Name:
Dihydroorotate dehydrogenase (quinone), mitochondrial
Synonyms:
1.3.5.2 | Dihydroorotate dehydrogenase (quinone), mitochondrial
Type:
PROTEIN
Mol. Mass.:
41300.36
Organism:
Schistosoma mansoni
Description:
ChEMBL_119667
Residue:
379
Sequence:
MSRIRTSLEVLSLGFGLFTAEALYSGNEHFYKDWFLPTARLLVRDGETAHNLSVYLASYGFIPHKQRNSFPQLKCKVFGLEFDHPIGLAAGFDKDGKAFMGLLNAGFSHIEVGTVTPNPQLGNARPRIFRWTEKEAVVNRCGFNSDGHDAVYERLKDRPWEGRGVIGVNLGCNKTSADPTADYVAGVRKFGEVADYLVINVSSPNTPGLRSLQTKEKLRDLLSKVLAARNQLSKKTPILLKISPDENDQNLKDIVEVALDSKTRIDGMIISNTTLTTYEEAVACGAAPIPGNNKQNVVYGGLSGRPLFEKSTDCLRKVSALTKGAIPLIGVGGISCGEDALSKLNAGASLVQLYTSFVYQGPPVAHKVAREINKLKMTS
Inhibitor
Name:
BDBM50523216
Synonyms:
CHEMBL2023282
Type:
Small organic molecule
Emp. Form.:
C22H20O5S
Mol. Mass.:
396.456
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]S(=O)(=O)c2ccc(-[#6])cc2)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
Structure:
